2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile

C20H28N4O — CID 130200803

IUPAC2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2
InChIInChI=1S/C20H28N4O/c1-18(2,13-21)14-24-15-19(23-17(24)25)9-11-20(22-3,12-10-19)16-7-5-4-6-8-16/h4-8,22H,9-12,14-15H2,1-3H3,(H,23,25)
InChIKeyYMYPOVUFRKKUIR-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.99
Rot. Bonds4

About 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile

2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile (PubChem CID 130200803) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile
PubChem CID130200803
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile
SMILESCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2
InChIInChI=1S/C20H28N4O/c1-18(2,13-21)14-24-15-19(23-17(24)25)9-11-20(22-3,12-10-19)16-7-5-4-6-8-16/h4-8,22H,9-12,14-15H2,1-3H3,(H,23,25)
InChIKeyYMYPOVUFRKKUIR-UHFFFAOYSA-N
XLogP2.99
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile (CID 130200803) is 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile is CNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C#N)C(=O)N2.
What is the InChIKey of 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile?
The InChIKey is YMYPOVUFRKKUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-18(2,13-21)14-24-15-19(23-17(24)25)9-11-20(22-3,12-10-19)16-7-5-4-6-8-16/h4-8,22H,9-12,14-15H2,1-3H3,(H,23,25).
What are the key properties of 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile?
2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile has a molecular weight of 340.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[8-(methylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]propanenitrile is sourced from PubChem (CID 130200803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).